⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22142678 | 0.87 | L3MBTL1 (0.31) | — | |
| SCHEMBL840819 | 0.78 | — | — | |
| SCHEMBL890135 | 0.73 | — | — | |
| SCHEMBL12546008 | 0.71 | — | — | |
| SCHEMBL12059740 | 0.69 | L3MBTL1 (0.45) | — | |
| SCHEMBL19966001 | 0.68 | — | — | |
| SCHEMBL24091770 | 0.64 | — | — | |
| SCHEMBL20272355 | 0.64 | — | — | |
| SCHEMBL15893907 | 0.64 | — | — | |
| SCHEMBL1116069 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153793-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-8143285-B2 | Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-03-27 | — | — | US | disclosed |